Chem
J-GLOBAL ID：200907047964432135   Nikkaji number：J2.445.401K

4-Bromobenzoic acid (2R)-2-(dimethylamino)-3-methoxypropyl ester

4-ブロモ安息香酸(2R)-2-(ジメチルアミノ)-3-メトキシプロピル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C13H18BrNO3
Molecular formula furigana： C13-H18-BR-N-O3
Molecular weight： 316.195
InChI： InChI=1S/C13H18BrNO3/c1-15(2)12(8-17-3)9-18-13(16)10-4-6-11(14)7-5-10/h4-7,12H,8-9H2,1-3H3/t12-/m1/s1
InChI key： XRMZMNGLSPFOHK-GFCCVEGCSA-N
SMILES： COC[C@H](COC(=O)c1ccc(Br)cc1)N(C)C
Systematic name  (3)：
  • 4-ブロモ安息香酸(2R)-2-(ジメチルアミノ)-3-メトキシプロピル
  • (2R)-2-(ジメチルアミノ)-3-メトキシプロピル 4-ブロモベンゾアート
  • (2R)-2-(dimethylamino)-3-methoxypropyl 4-bromobenzoate
Other name (1)：
  • 4-Bromobenzoic acid (2R)-2-(dimethylamino)-3-methoxypropyl ester
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